Mol:FL3F29GF0001
From Metabolomics.JP
Copyright: ARM project http://www.metabolome.jp/ 34 38 0 0 0 0 0 0 0 0999 V2000 -1.0095 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3316 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0095 -0.5579 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6873 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 -2.1232 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -1.7319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0240 -0.9492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 -0.5579 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 -0.9647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 -0.5717 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0393 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6779 0.2143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3462 -2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1722 0.2077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9506 0.2895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2689 -0.4255 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3586 1.2428 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2905 -2.0802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0393 -2.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1396 2.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2729 1.5484 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0710 1.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8642 1.5307 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4518 2.2453 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6536 2.0363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5152 2.5530 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1162 2.7834 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6143 1.7882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1547 1.7953 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8060 1.2986 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 2 3 1 0 0 0 0 3 4 2 0 0 0 0 4 5 1 0 0 0 0 5 6 2 0 0 0 0 6 1 1 0 0 0 0 2 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 3 1 0 0 0 0 9 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 16 11 1 0 0 0 0 7 17 2 0 0 0 0 4 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 5 1 0 0 0 0 15 21 1 0 0 0 0 6 22 1 0 0 0 0 22 23 1 0 0 0 0 24 25 1 1 0 0 0 25 26 1 1 0 0 0 27 26 1 1 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 24 1 0 0 0 0 29 30 1 0 0 0 0 30 31 1 0 0 0 0 24 32 1 0 0 0 0 25 33 1 0 0 0 0 26 34 1 0 0 0 0 21 27 1 0 0 0 0 S SKP 8 ID FL3F29GF0001 KNApSAcK_ID C00011168 NAME Pongamoside B CAS_RN 713524-64-2 FORMULA C24H22O10 EXACTMASS 470.121296924 AVERAGEMASS 470.42548 SMILES C(O)(C1Oc(c2)cc(C(=C3)Oc(c54)c(cc(OC)c(occ5)4)C3=O)cc2)C(O)C(O)C(O1)CO M END